1-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-3,4-DIHYDRO-2H-PYRIDIN-4-YL)-3-(4-CYANOPHENYL)UREA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20N6O
Molecular Weight	372.4231
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-3,4-DIHYDRO-2H-PYRIDIN-4-YL)-3-(4-CYANOPHENYL)UREA

Structure Search

SMILES

CN1C=C[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N

InChI

InChIKey=TYBYEUBYYCLFNN-VQIMIIECSA-N

InChI=1S/C21H20N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-11,16,19H,12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-3,4-DIHYDRO-2H-PYRIDIN-4-YL)-3-(4-CYANOPHENYL)UREA

Systematic Name

English

UREA, N-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1,2,3,4-TETRAHYDRO-1-METHYL-4-PYRIDINYL)-N'-(4-CYANOPHENYL)-

Systematic Name

English

GLASDEGIB METABOLITE M2

Common Name

English

GLASDEGIB, (DEHYDROGENATION IN THE PIPERIDINE RING)-

Common Name

English

Code System Code Type Description

PUBCHEM

155804785

Created by admin on Sat Dec 16 14:54:56 GMT 2023 , Edited by admin on Sat Dec 16 14:54:56 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

68AY89Y84D

Created by admin on Sat Dec 16 14:54:56 GMT 2023 , Edited by admin on Sat Dec 16 14:54:56 GMT 2023

PRIMARY

CAS

2222533-65-3

Created by admin on Sat Dec 16 14:54:56 GMT 2023 , Edited by admin on Sat Dec 16 14:54:56 GMT 2023

PRIMARY

PARENT (METABOLITE)


					K673DMO5H9

GLASDEGIB

SUBSTANCE RECORD


					68AY89Y84D

1-((2R,4S)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-3,4-DIHYDRO-2H-PYRIDIN-4-YL)-3-(4-CYANOPHENYL)UREA